1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole

C22H26N4O2 — CID 30743968

IUPAC1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1C
InChIInChI=1S/C22H26N4O2/c1-16-9-19-20(10-17(16)2)26(13-23-19)14-25-7-5-24(6-8-25)12-18-3-4-21-22(11-18)28-15-27-21/h3-4,9-11,13H,5-8,12,14-15H2,1-2H3
InChIKeyVNTVZBMPLASDDW-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.16
Rot. Bonds4

About 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole

1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole (PubChem CID 30743968) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole
PubChem CID30743968
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1C
InChIInChI=1S/C22H26N4O2/c1-16-9-19-20(10-17(16)2)26(13-23-19)14-25-7-5-24(6-8-25)12-18-3-4-21-22(11-18)28-15-27-21/h3-4,9-11,13H,5-8,12,14-15H2,1-2H3
InChIKeyVNTVZBMPLASDDW-UHFFFAOYSA-N
XLogP3.16
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 121174182
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 52501696
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol
CID 52516655
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)pteridin-4-amine
CID 51699978
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;chloride;hydrate
CID 45114229
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 122282156
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propan-2-amine
CID 22689438
1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazine
CID 6499747
[3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 39147920
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole (CID 30743968) is 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole is Cc1cc2ncn(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1C.
What is the InChIKey of 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole?
The InChIKey is VNTVZBMPLASDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-9-19-20(10-17(16)2)26(13-23-19)14-25-7-5-24(6-8-25)12-18-3-4-21-22(11-18)28-15-27-21/h3-4,9-11,13H,5-8,12,14-15H2,1-2H3.
What are the key properties of 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole?
1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole has a molecular weight of 378.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 30743968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).